UCSF

ZINC65529837

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 19 Yes

Popular Name: 2-[3,4-bis(methyloxy)phenyl]-3-({4-nitrophenyl}carbonyl)-1,3-thiazolidine 2-[3,4-bis(methyloxy)phenyl]-3-(…

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Other Names:

MFCD01023954

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.75 8.77 -79.38 3 5 2 60 259.357 3 ↓
Hi High (pH 8-9.5) 1.75 7.78 -9.4 1 5 0 58 257.341 3 ↓
Mid Mid (pH 6-8) 1.75 8.25 -40.67 2 5 1 59 258.349 3 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.